N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide

C24H30N2O4 — CID 86946723

IUPACN-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(C(=O)N(C)C)CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H30N2O4/c1-26(2)23(28)24(13-7-8-14-24)17-25-22(27)19-11-12-20(21(15-19)29-3)30-16-18-9-5-4-6-10-18/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3,(H,25,27)
InChIKeyKSHDULPBOKBZFY-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.65
Rot. Bonds8

About N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide

N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 86946723) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide
PubChem CID86946723
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(C(=O)N(C)C)CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C24H30N2O4/c1-26(2)23(28)24(13-7-8-14-24)17-25-22(27)19-11-12-20(21(15-19)29-3)30-16-18-9-5-4-6-10-18/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3,(H,25,27)
InChIKeyKSHDULPBOKBZFY-UHFFFAOYSA-N
XLogP3.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 8936655
3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide
CID 55658528
3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
CID 86952806
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide (CID 86946723) is N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCC2(C(=O)N(C)C)CCCC2)ccc1OCc1ccccc1.
What is the InChIKey of N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is KSHDULPBOKBZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-26(2)23(28)24(13-7-8-14-24)17-25-22(27)19-11-12-20(21(15-19)29-3)30-16-18-9-5-4-6-10-18/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3,(H,25,27).
What are the key properties of N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide?
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 410.51 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 86946723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).